2,4,4-Trimethylpentane-1-thiol
TL;DR: 2,4,4-Trimethylpentane-1-thiol (CAS 110502-19-7) is a chemical compound with molecular formula C8H18S and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylpentane-1-thiol
Also Known As: 2,4,4-trimethylpentane-1-thiol, 2,4,4-trimethyl-1-pentanethiol, 4-(5-heptyl-2-pyridyl)-phenol, 1-Pentanethiol, 2,4,4-trimethyl-, (? inverted exclamation markA)-
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 2.9885 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 71.127045 |
Chemical Identifiers
| CAS Number | 110502-19-7 |
|---|---|
| SMILES | CC(CC(C)(C)C)CS |
Product Overview
2,4,4-Trimethylpentane-1-thiol (CAS 110502-19-7), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 2,4,4-trimethylpentane-1-thiol.
Chemical Property Profile of 2,4,4-Trimethylpentane-1-thiol
Property Insights of 2,4,4-Trimethylpentane-1-thiol
The XLogP value of 2.9885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethylpentane-1-thiol. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4,4-Trimethylpentane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethylpentane-1-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,4-Trimethylpentane-1-thiol?
The CAS number of 2,4,4-Trimethylpentane-1-thiol is 110502-19-7.
What is the molecular formula of 2,4,4-Trimethylpentane-1-thiol?
The molecular formula of 2,4,4-Trimethylpentane-1-thiol is C8H18S.
What is the molecular weight of 2,4,4-Trimethylpentane-1-thiol?
The molecular weight of 2,4,4-Trimethylpentane-1-thiol is 146.11 g/mol.
Where can I buy 2,4,4-Trimethylpentane-1-thiol?
You can request a quote for 2,4,4-Trimethylpentane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethylpentane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethylpentane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.